Heavy Halogen Atom Effect on 13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study-Reference-Cited by-同舟云学术

Heavy Halogen Atom Effect on 13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

Published:2009-07-30 Issue:9 Volume:5 Page:2222-2228
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Neto Alvaro Cunha¹,Ducati Lucas C.¹,Rittner Roberto¹,Tormena Cláudio F.¹,Contreras Rubén H.¹,Frenking Gernot¹

Affiliation:

1. Chemistry Institute, State University of Campinas, Caixa Postal 6154, 13084-971 Campinas, SP, Brazil, Department of Physics, FCEyN, University of Buenos Aires and CONICET, Buenos Aires, Argentina, and Philipps-Universität Marburg, Hans-Meerwein-Strasse, D-35032 Marburg, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800520w

Reference53 articles.

1. Effect of the heavy atom on the nuclear shielding constant. I. The proton chemical shifts in hydrogen halides

2. Relativistic theory of nuclear spin-spin coupling in molecules

3. Relativistically parameterized extended Hückel calculations

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